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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-18 11:23:38 +01:00
qp2/data/basis
2020-02-04 16:49:16 +01:00
..
3-21++g Initial commit 2019-01-25 11:39:31 +01:00
3-21++g_star Initial commit 2019-01-25 11:39:31 +01:00
3-21g Initial commit 2019-01-25 11:39:31 +01:00
3-21g_star Initial commit 2019-01-25 11:39:31 +01:00
3-21gsp Initial commit 2019-01-25 11:39:31 +01:00
4-22gsp Initial commit 2019-01-25 11:39:31 +01:00
4-31g Initial commit 2019-01-25 11:39:31 +01:00
5zp Initial commit 2019-01-25 11:39:31 +01:00
6-31++g Merge Master (#69) 2019-10-21 16:45:00 +02:00
6-31++g_star Initial commit 2019-01-25 11:39:31 +01:00
6-31++g_star_star Merge Master (#69) 2019-10-21 16:45:00 +02:00
6-31+g Initial commit 2019-01-25 11:39:31 +01:00
6-31+g_star Merge Master (#69) 2019-10-21 16:45:00 +02:00
6-31g Initial commit 2019-01-25 11:39:31 +01:00
6-31g_3df_3pd Initial commit 2019-01-25 11:39:31 +01:00
6-31g_star Merge Master (#69) 2019-10-21 16:45:00 +02:00
6-31g_star_star Initial commit 2019-01-25 11:39:31 +01:00
6-31g_star-Blaudeau Initial commit 2019-01-25 11:39:31 +01:00
6-31g-Blaudeau Initial commit 2019-01-25 11:39:31 +01:00
6-311++g_2d_2p Merge Master (#69) 2019-10-21 16:45:00 +02:00
6-311++g_3df_3pd Initial commit 2019-01-25 11:39:31 +01:00
6-311++g_star_star Initial commit 2019-01-25 11:39:31 +01:00
6-311+g_star Merge Master (#69) 2019-10-21 16:45:00 +02:00
6-311g Initial commit 2019-01-25 11:39:31 +01:00
6-311g_2df_2pd Initial commit 2019-01-25 11:39:31 +01:00
6-311G_star Merge Master (#69) 2019-10-21 16:45:00 +02:00
6-311G_star_star Initial commit 2019-01-25 11:39:31 +01:00
6zp Initial commit 2019-01-25 11:39:31 +01:00
00_README.rst Basis warning 2020-02-04 16:49:16 +01:00
ano2_ames Initial commit 2019-01-25 11:39:31 +01:00
ano_ames Initial commit 2019-01-25 11:39:31 +01:00
ano_bauschlicher Initial commit 2019-01-25 11:39:31 +01:00
ano-pvdz_ecp_bfd Initial commit 2019-01-25 11:39:31 +01:00
ano-pvqz_ecp_bfd Initial commit 2019-01-25 11:39:31 +01:00
ano-pvtz_ecp_bfd Initial commit 2019-01-25 11:39:31 +01:00
ano-rcc Initial commit 2019-01-25 11:39:31 +01:00
apr-cc-pv_q+d_z Initial commit 2019-01-25 11:39:31 +01:00
aug-5zp Initial commit 2019-01-25 11:39:31 +01:00
aug-ano-pvdz_roos Initial commit 2019-01-25 11:39:31 +01:00
aug-ano-pvtz_roos Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pcv5z Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pcv_t+d_z Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pcvdz Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pcvqz Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pcvtz Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pv5z Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pv5z_ecp_bfd Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pv5z_ecp_ncsu NCSU ECP and Basis set (#41) 2019-05-24 16:19:34 -05:00
aug-cc-pv5z-pp Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pv6z Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pv_5+d_z Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pv_6+d_z Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pv_d+d_z Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pv_q+d_z Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pv_t+d_z Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pvdz Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pvdz_ecp_bfd Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pvdz_ecp_ncsu NCSU ECP and Basis set (#41) 2019-05-24 16:19:34 -05:00
aug-cc-pvdz-pp Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pvqz Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pvqz_ecp_bfd Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pvqz_ecp_ncsu NCSU ECP and Basis set (#41) 2019-05-24 16:19:34 -05:00
aug-cc-pvqz_sbd Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pvqz-nr Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pvqz-pp Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pvtz Merge alors 2019-10-24 13:56:53 +02:00
aug-cc-pvtz_ecp_bfd Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pvtz_ecp_ncsu NCSU ECP and Basis set (#41) 2019-05-24 16:19:34 -05:00
aug-cc-pvtz_sbd Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pvtz-nr Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pvtz-pp Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pwcv5z Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pwcv5z-nr Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pwcvdz Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pwcvqz Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pwcvqz-nr Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pwcvtz Initial commit 2019-01-25 11:39:31 +01:00
aug-cc-pwcvtz-nr Initial commit 2019-01-25 11:39:31 +01:00
aug-dzp Initial commit 2019-01-25 11:39:31 +01:00
aug-pc-0 Initial commit 2019-01-25 11:39:31 +01:00
aug-pc-1 Initial commit 2019-01-25 11:39:31 +01:00
aug-pc-2 Initial commit 2019-01-25 11:39:31 +01:00
aug-pc-3 Initial commit 2019-01-25 11:39:31 +01:00
aug-pc-4 Initial commit 2019-01-25 11:39:31 +01:00
aug-pcj-0 Initial commit 2019-01-25 11:39:31 +01:00
aug-pcj-0_2006 Initial commit 2019-01-25 11:39:31 +01:00
aug-pcj-1 Initial commit 2019-01-25 11:39:31 +01:00
aug-pcj-1_2006 Initial commit 2019-01-25 11:39:31 +01:00
aug-pcj-2 Initial commit 2019-01-25 11:39:31 +01:00
aug-pcj-2_2006 Initial commit 2019-01-25 11:39:31 +01:00
aug-pcj-3 Initial commit 2019-01-25 11:39:31 +01:00
aug-pcj-3_2006 Initial commit 2019-01-25 11:39:31 +01:00
aug-pcj-4 Initial commit 2019-01-25 11:39:31 +01:00
aug-pcj-4_2006 Initial commit 2019-01-25 11:39:31 +01:00
aug-pcs-2 Initial commit 2019-01-25 11:39:31 +01:00
aug-pcs-3 Initial commit 2019-01-25 11:39:31 +01:00
aug-pcs-4 Initial commit 2019-01-25 11:39:31 +01:00
aug-pcS-0 Initial commit 2019-01-25 11:39:31 +01:00
aug-pcS-1 Initial commit 2019-01-25 11:39:31 +01:00
aug-pcseg-0 Initial commit 2019-01-25 11:39:31 +01:00
aug-pcseg-1 Initial commit 2019-01-25 11:39:31 +01:00
aug-pcseg-2 Initial commit 2019-01-25 11:39:31 +01:00
aug-pcseg-3 Initial commit 2019-01-25 11:39:31 +01:00
aug-pcseg-4 Initial commit 2019-01-25 11:39:31 +01:00
aug-pcsseg-0 Initial commit 2019-01-25 11:39:31 +01:00
aug-pcsseg-1 Initial commit 2019-01-25 11:39:31 +01:00
aug-pcsseg-2 Initial commit 2019-01-25 11:39:31 +01:00
aug-pcsseg-3 Initial commit 2019-01-25 11:39:31 +01:00
aug-pcsseg-4 Initial commit 2019-01-25 11:39:31 +01:00
aug-pv7z Initial commit 2019-01-25 11:39:31 +01:00
aug-qzp Initial commit 2019-01-25 11:39:31 +01:00
aug-tzp Initial commit 2019-01-25 11:39:31 +01:00
cc-pcv5z Initial commit 2019-01-25 11:39:31 +01:00
cc-pcv5z0 Initial commit 2019-01-25 11:39:31 +01:00
cc-pcv5z_ames Initial commit 2019-01-25 11:39:31 +01:00
cc-pcv6z Initial commit 2019-01-25 11:39:31 +01:00
cc-pcvdz Initial commit 2019-01-25 11:39:31 +01:00
cc-pcvqz Initial commit 2019-01-25 11:39:31 +01:00
cc-pcvqz_ames Initial commit 2019-01-25 11:39:31 +01:00
cc-pcvtz Initial commit 2019-01-25 11:39:31 +01:00
cc-pcvtz_ames Initial commit 2019-01-25 11:39:31 +01:00
cc-pv5z Initial commit 2019-01-25 11:39:31 +01:00
cc-pv5z_ames Initial commit 2019-01-25 11:39:31 +01:00
cc-pv5z_ecp_bfd Initial commit 2019-01-25 11:39:31 +01:00
cc-pv5z_ecp_ncsu Fix small format issue in ECP 2019-05-29 12:03:06 -05:00
cc-pv5z-nr Initial commit 2019-01-25 11:39:31 +01:00
cc-pv5z-pp Initial commit 2019-01-25 11:39:31 +01:00
cc-pv6z Initial commit 2019-01-25 11:39:31 +01:00
cc-pv8z Initial commit 2019-01-25 11:39:31 +01:00
cc-pv9z Initial commit 2019-01-25 11:39:31 +01:00
cc-pv_5+d_z Initial commit 2019-01-25 11:39:31 +01:00
cc-pv_6+d_z Initial commit 2019-01-25 11:39:31 +01:00
cc-pv_d+d_z Initial commit 2019-01-25 11:39:31 +01:00
cc-pv_q+d_z Initial commit 2019-01-25 11:39:31 +01:00
cc-pv_t+d_z Initial commit 2019-01-25 11:39:31 +01:00
cc-pv_t+d_z+ Initial commit 2019-01-25 11:39:31 +01:00
cc-pvdz Initial commit 2019-01-25 11:39:31 +01:00
cc-pvdz_ecp_bfd Initial commit 2019-01-25 11:39:31 +01:00
cc-pvdz_ecp_ncsu Merge branch 'Fix_Bug_ECP' of https://github.com/anbenali/qp2 into anbenali-Fix_Bug_ECP 2019-06-08 15:52:33 +02:00
cc-pvdz-pp Initial commit 2019-01-25 11:39:31 +01:00
cc-pvqz Initial commit 2019-01-25 11:39:31 +01:00
cc-pvqz_ames Initial commit 2019-01-25 11:39:31 +01:00
cc-pvqz_ecp_bfd Initial commit 2019-01-25 11:39:31 +01:00
cc-pvqz_ecp_ncsu Merge branch 'Fix_Bug_ECP' of https://github.com/anbenali/qp2 into anbenali-Fix_Bug_ECP 2019-06-08 15:52:33 +02:00
cc-pvqz_sdb Initial commit 2019-01-25 11:39:31 +01:00
cc-pvqz-nr Initial commit 2019-01-25 11:39:31 +01:00
cc-pvqz-pp Initial commit 2019-01-25 11:39:31 +01:00
cc-pvtz Initial commit 2019-01-25 11:39:31 +01:00
cc-pvtz_ames Initial commit 2019-01-25 11:39:31 +01:00
cc-pvtz_ecp_bfd Initial commit 2019-01-25 11:39:31 +01:00
cc-pvtz_ecp_ncsu Merge branch 'Fix_Bug_ECP' of https://github.com/anbenali/qp2 into anbenali-Fix_Bug_ECP 2019-06-08 15:52:33 +02:00
cc-pvtz_sdb Initial commit 2019-01-25 11:39:31 +01:00
cc-pvtz-nr Initial commit 2019-01-25 11:39:31 +01:00
cc-pvtz-pp Initial commit 2019-01-25 11:39:31 +01:00
cc-pvtz+ Initial commit 2019-01-25 11:39:31 +01:00
cc-pwcv5z Initial commit 2019-01-25 11:39:31 +01:00
cc-pwcv5z-nr Initial commit 2019-01-25 11:39:31 +01:00
cc-pwcv5z-pp Initial commit 2019-01-25 11:39:31 +01:00
cc-pwcvdz Initial commit 2019-01-25 11:39:31 +01:00
cc-pwcvdz-pp Initial commit 2019-01-25 11:39:31 +01:00
cc-pwcvqz Initial commit 2019-01-25 11:39:31 +01:00
cc-pwcvqz-nr Initial commit 2019-01-25 11:39:31 +01:00
cc-pwcvqz-pp Initial commit 2019-01-25 11:39:31 +01:00
cc-pwcvtz Initial commit 2019-01-25 11:39:31 +01:00
cc-pwcvtz-nr Initial commit 2019-01-25 11:39:31 +01:00
chipman-dzp Initial commit 2019-01-25 11:39:31 +01:00
chipman-dzp+diffuse Initial commit 2019-01-25 11:39:31 +01:00
d-aug-cc-pv5z Initial commit 2019-01-25 11:39:31 +01:00
d-aug-cc-pv6z Initial commit 2019-01-25 11:39:31 +01:00
d-aug-cc-pvdz Initial commit 2019-01-25 11:39:31 +01:00
d-aug-cc-pvqz Initial commit 2019-01-25 11:39:31 +01:00
d-aug-cc-pvtz Initial commit 2019-01-25 11:39:31 +01:00
def2-qzvp Initial commit 2019-01-25 11:39:31 +01:00
def2-qzvpd Initial commit 2019-01-25 11:39:31 +01:00
def2-qzvpp Initial commit 2019-01-25 11:39:31 +01:00
def2-qzvppd Initial commit 2019-01-25 11:39:31 +01:00
def2-sv_p Initial commit 2019-01-25 11:39:31 +01:00
def2-svp Initial commit 2019-01-25 11:39:31 +01:00
def2-svpd Initial commit 2019-01-25 11:39:31 +01:00
def2-tzvp Initial commit 2019-01-25 11:39:31 +01:00
def2-tzvpd Initial commit 2019-01-25 11:39:31 +01:00
def2-tzvpp Initial commit 2019-01-25 11:39:31 +01:00
def2-tzvppd Initial commit 2019-01-25 11:39:31 +01:00
dunning_tz Initial commit 2019-01-25 11:39:31 +01:00
dz_dunning Initial commit 2019-01-25 11:39:31 +01:00
dz_dunning-hay Initial commit 2019-01-25 11:39:31 +01:00
dzp Initial commit 2019-01-25 11:39:31 +01:00
dzp_dunning Initial commit 2019-01-25 11:39:31 +01:00
dzpd_dunning Initial commit 2019-01-25 11:39:31 +01:00
dzpr_dunning Initial commit 2019-01-25 11:39:31 +01:00
dzq Initial commit 2019-01-25 11:39:31 +01:00
dzr_dunning Initial commit 2019-01-25 11:39:31 +01:00
dzvp Initial commit 2019-01-25 11:39:31 +01:00
dzvp2 Initial commit 2019-01-25 11:39:31 +01:00
ecp10mdf Initial commit 2019-01-25 11:39:31 +01:00
ecp60mdf Initial commit 2019-01-25 11:39:31 +01:00
iglo-ii Initial commit 2019-01-25 11:39:31 +01:00
iglo-iii Initial commit 2019-01-25 11:39:31 +01:00
jul-cc-pv_d+d_z Initial commit 2019-01-25 11:39:31 +01:00
jul-cc-pv_q+d_z Initial commit 2019-01-25 11:39:31 +01:00
jul-cc-pv_t+d_z Initial commit 2019-01-25 11:39:31 +01:00
jun-cc-pv_d+d_z Initial commit 2019-01-25 11:39:31 +01:00
jun-cc-pv_q+d_z Initial commit 2019-01-25 11:39:31 +01:00
jun-cc-pv_t+d_z Initial commit 2019-01-25 11:39:31 +01:00
lanl2dz_ecp Initial commit 2019-01-25 11:39:31 +01:00
lanl2dz_mod Initial commit 2019-01-25 11:39:31 +01:00
lanl2dzdp_ecp Initial commit 2019-01-25 11:39:31 +01:00
lanl2tz Initial commit 2019-01-25 11:39:31 +01:00
lanl2tz+ Initial commit 2019-01-25 11:39:31 +01:00
lanl2tzf Initial commit 2019-01-25 11:39:31 +01:00
lanl08 Initial commit 2019-01-25 11:39:31 +01:00
lanl08+ Initial commit 2019-01-25 11:39:31 +01:00
lanl08d Initial commit 2019-01-25 11:39:31 +01:00
lanl08f Initial commit 2019-01-25 11:39:31 +01:00
m6-31g Initial commit 2019-01-25 11:39:31 +01:00
maug-cc-pv_d+d_z Initial commit 2019-01-25 11:39:31 +01:00
maug-cc-pv_q+d_z Initial commit 2019-01-25 11:39:31 +01:00
maug-cc-pv_t+d_z Initial commit 2019-01-25 11:39:31 +01:00
maug-cc-pvdz Initial commit 2019-01-25 11:39:31 +01:00
maug-cc-pvqz Initial commit 2019-01-25 11:39:31 +01:00
maug-cc-pvtz Initial commit 2019-01-25 11:39:31 +01:00
may-cc-pv_q+d_z Initial commit 2019-01-25 11:39:31 +01:00
may-cc-pv_t+d_z Initial commit 2019-01-25 11:39:31 +01:00
mb_ecp_hay-wadt Initial commit 2019-01-25 11:39:31 +01:00
mg3s Initial commit 2019-01-25 11:39:31 +01:00
midi_bang Initial commit 2019-01-25 11:39:31 +01:00
midi_huzinaga Initial commit 2019-01-25 11:39:31 +01:00
mini Initial commit 2019-01-25 11:39:31 +01:00
mini_huzinaga Initial commit 2019-01-25 11:39:31 +01:00
pv6z Initial commit 2019-01-25 11:39:31 +01:00
pv7z Initial commit 2019-01-25 11:39:31 +01:00
pvdz_ahlrichs Initial commit 2019-01-25 11:39:31 +01:00
pvtz_gamess Initial commit 2019-01-25 11:39:31 +01:00
pvtz_sadlej Initial commit 2019-01-25 11:39:31 +01:00
qzp Initial commit 2019-01-25 11:39:31 +01:00
rlc_ecp_stuttgart Initial commit 2019-01-25 11:39:31 +01:00
rsc_ano_ecp_stuttgart Initial commit 2019-01-25 11:39:31 +01:00
rsc_ecp_stuttgart Initial commit 2019-01-25 11:39:31 +01:00
sbkjc_p_2d Initial commit 2019-01-25 11:39:31 +01:00
sto-2g Initial commit 2019-01-25 11:39:31 +01:00
sto-3g Initial commit 2019-01-25 11:39:31 +01:00
sto-3g_star Initial commit 2019-01-25 11:39:31 +01:00
sto-6g_star Initial commit 2019-01-25 11:39:31 +01:00
sv_binning-curtiss Initial commit 2019-01-25 11:39:31 +01:00
sv_dunning-hay Initial commit 2019-01-25 11:39:31 +01:00
svp_binning-curtiss Initial commit 2019-01-25 11:39:31 +01:00
svp_dunning-hay Initial commit 2019-01-25 11:39:31 +01:00
svpd_dunning-hay Initial commit 2019-01-25 11:39:31 +01:00
svpdr Initial commit 2019-01-25 11:39:31 +01:00
svpr_dunning-hay Initial commit 2019-01-25 11:39:31 +01:00
svr_dunning-hay Initial commit 2019-01-25 11:39:31 +01:00
svrr_dunning-hay Initial commit 2019-01-25 11:39:31 +01:00
tzp Initial commit 2019-01-25 11:39:31 +01:00
tzv_ahlrichs Initial commit 2019-01-25 11:39:31 +01:00
tzvp Initial commit 2019-01-25 11:39:31 +01:00
ugbs Initial commit 2019-01-25 11:39:31 +01:00
uncontracted_1_partridge Initial commit 2019-01-25 11:39:31 +01:00
uncontracted_2_partridge Initial commit 2019-01-25 11:39:31 +01:00
uncontracted_3_partridge Initial commit 2019-01-25 11:39:31 +01:00
uncontracted_4_partridge Initial commit 2019-01-25 11:39:31 +01:00
vdz_ahlrichs Initial commit 2019-01-25 11:39:31 +01:00
vdz_ecp_hay-wadt Initial commit 2019-01-25 11:39:31 +01:00
vdz_sbkjc_ecp Initial commit 2019-01-25 11:39:31 +01:00
vtz_ahlrichs Initial commit 2019-01-25 11:39:31 +01:00
vtz_binning-curtiss Initial commit 2019-01-25 11:39:31 +01:00
vtz_gamess Initial commit 2019-01-25 11:39:31 +01:00
vtz_mclean-chandler Initial commit 2019-01-25 11:39:31 +01:00
vtzp_binning-curtiss Initial commit 2019-01-25 11:39:31 +01:00
wachters+f Initial commit 2019-01-25 11:39:31 +01:00